Adaptive Multilevel Splitting Method for Molecular Dynamics Calculation of Benzamidine-Trypsin Dissociation Time.
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Efficient Atomistic Simulation of Pathways and Calculation of Rate Constants for a Protein-Peptide Binding Process: Application to the MDM2 Protein and an Intrinsically Disordered p53 Peptide.Path-sampling strategies for simulating rare events in biomolecular systems.How and when does an anticancer drug leave its binding site?How wet should be the reaction coordinate for ligand unbinding?Multiple Ligand Unbinding Pathways and Ligand-Induced Destabilization Revealed by WExplore.SEEKR: Simulation Enabled Estimation of Kinetic Rates, A Computational Tool to Estimate Molecular Kinetics and Its Application to Trypsin-Benzamidine Binding.Biomolecular conformational changes and ligand binding: from kinetics to thermodynamics.Protein-ligand (un)binding kinetics as a new paradigm for drug discovery at the crossroad between experiments and modelling
P2860
Q27301215-A19DCB94-2324-4BFB-BE20-EC48D47160D9Q39041529-E1D68BF1-DC0F-40D4-9B9A-085C8B10B401Q41965081-99965E63-9695-46A3-8FB0-FDC04166AD3CQ42377074-5777D9C3-C4D4-4705-818F-5B42E1E4F4F9Q47952207-ABB821B8-B1E1-4208-9A5F-69743BD6CA67Q48247516-BFB0C378-35BE-4947-BA3C-56490383865CQ52331594-04B893B7-C0A2-488D-B109-05CE7625B4ADQ56961708-4755B3A6-8368-4757-8564-1AAD31AF62EF
P2860
Adaptive Multilevel Splitting Method for Molecular Dynamics Calculation of Benzamidine-Trypsin Dissociation Time.
description
2016 nî lūn-bûn
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2016年の論文
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年学术文章
@zh-my
2016年学术文章
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2016年學術文章
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name
Adaptive Multilevel Splitting ...... ine-Trypsin Dissociation Time.
@en
Adaptive Multilevel Splitting ...... ine-Trypsin Dissociation Time.
@nl
type
label
Adaptive Multilevel Splitting ...... ine-Trypsin Dissociation Time.
@en
Adaptive Multilevel Splitting ...... ine-Trypsin Dissociation Time.
@nl
prefLabel
Adaptive Multilevel Splitting ...... ine-Trypsin Dissociation Time.
@en
Adaptive Multilevel Splitting ...... ine-Trypsin Dissociation Time.
@nl
P2093
P2860
P356
P1476
Adaptive Multilevel Splitting ...... ine-Trypsin Dissociation Time.
@en
P2093
Christopher G Mayne
Tony Lelièvre
P2860
P304
P356
10.1021/ACS.JCTC.6B00277
P577
2016-05-09T00:00:00Z